SCHEMBL13091041

SCHEMBL13091041

O=C(NCCN1CCOCC1)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)[nH]c2c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 10/20 0.77
HSD17B10 Q99714 2/20 0.66
CACNA1G O43497 4/20 0.65
ESR1 P03372 2/20 0.64
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 1/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 3/20 0.61
HPGD P15428 1/20 0.61
HTT P42858 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TSHR P16473 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13091039 0.95 HTR3A (0.78) HTR3AHSD17B10CACNA1GESR1KDM4E
SCHEMBL13943783 0.87 HTR3A (0.81) HTR3AHSD17B10CACNA1GKDM4EALDH1A1
SCHEMBL13090998 0.87 KMT2A (0.79) HTR3ACACNA1GESR1KDM4EALDH1A1
SCHEMBL13091144 0.85 ALDH1A1 (0.69) HTR3AHSD17B10CACNA1GESR1KDM4E
SCHEMBL13091052 0.83 HTR3A (0.78) HTR3AHSD17B10CACNA1GESR1KDM4E
SCHEMBL13091071 0.83 MAPT (0.73) HTR3AHSD17B10CACNA1GESR1KDM4E
SCHEMBL8227816 0.82 HTR3A (1.00) HTR3AHSD17B10CACNA1GKDM4EALDH1A1
SCHEMBL13091059 0.81 ESR1 (0.62) HTR3AHSD17B10CACNA1GESR1KDM4E
SCHEMBL13091055 0.80 ALDH1A1 (0.67) HSD17B10ESR1KDM4EALDH1A1GAA
SCHEMBL12793634 0.80 ALDH1A1 (0.68) HSD17B10ESR1KDM4EALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 US disclosed
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. 2010-10-21 US disclosed
WO-2009023558-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. (US) 2009-02-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100267671-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS BAX, BCL2, BAD HTR3A 4236/4885HSD17B10 2550/4885CACNA1G 4163/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.